7-(Trifluoromethyl)quinoline-4-thiol

• Catalog: OFC64415072
• CAS: 64415-07-2
• Category: Fluorinated Quinolines
• Synonyms: 7-Trifluoromethyl-4-quinolinethiol
• Purity: 95%
• MDL Number: MFCD00006780

• IUPAC Name: 7-(trifluoromethyl)-1H-quinoline-4-thione
• InChI: InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
• InChI Key: DBWDEWRMEKXOFI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1C(F)(F)F)NC=CC2=S
• EC Number: 264-875-2

• Molecular Formula: C10H6F3NS
• Molecular Weight: 229.22
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 229.01730486 g/mol
• Monoisotopic Mass: 229.01730486 g/mol
• Topological Polar Surface Area: 44.1Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 298